2-[(3S)-1-cyclohexylpiperidin-3-yl]-6-imidazol-1-ylpyridine

C19H26N4 — CID 95838629

IUPAC2-[(3S)-1-cyclohexylpiperidin-3-yl]-6-imidazol-1-ylpyridine
SMILESc1cc([C@H]2CCCN(C3CCCCC3)C2)nc(-n2ccnc2)c1
InChIInChI=1S/C19H26N4/c1-2-7-17(8-3-1)22-12-5-6-16(14-22)18-9-4-10-19(21-18)23-13-11-20-15-23/h4,9-11,13,15-17H,1-3,5-8,12,14H2/t16-/m0/s1
InChIKeyQLLSBISZAZPDDY-INIZCTEOSA-N
MW310.44 g/mol
LogP3.78
Rot. Bonds3

About 2-[(3S)-1-cyclohexylpiperidin-3-yl]-6-imidazol-1-ylpyridine

2-[(3S)-1-cyclohexylpiperidin-3-yl]-6-imidazol-1-ylpyridine (PubChem CID 95838629) has the molecular formula C19H26N4 and a molecular weight of 310.44 g/mol. Its IUPAC name is 2-[(3S)-1-cyclohexylpiperidin-3-yl]-6-imidazol-1-ylpyridine.

Molecular Properties

Compound Name2-[(3S)-1-cyclohexylpiperidin-3-yl]-6-imidazol-1-ylpyridine
PubChem CID95838629
Molecular FormulaC19H26N4
Molecular Weight310.44 g/mol
Exact Mass310.22
IUPAC Name2-[(3S)-1-cyclohexylpiperidin-3-yl]-6-imidazol-1-ylpyridine
SMILESc1cc([C@H]2CCCN(C3CCCCC3)C2)nc(-n2ccnc2)c1
InChIInChI=1S/C19H26N4/c1-2-7-17(8-3-1)22-12-5-6-16(14-22)18-9-4-10-19(21-18)23-13-11-20-15-23/h4,9-11,13,15-17H,1-3,5-8,12,14H2/t16-/m0/s1
InChIKeyQLLSBISZAZPDDY-INIZCTEOSA-N
XLogP3.78
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

cyclopentyl-[(3R)-3-(6-imidazol-1-yl-2-pyridinyl)piperidin-1-yl]methanone
CID 95838424
2-[(3R)-3-(6-imidazol-1-yl-2-pyridinyl)piperidin-1-yl]-4,6-dimethylpyrimidine
CID 95829311
2-(1-cyclohexylpiperidin-3-yl)-6-(2-propan-2-ylimidazol-1-yl)pyridine
CID 110268052
2-[(3R)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-6-imidazol-1-ylpyridine
CID 95838563
2-(1-cyclopentylpiperidin-3-yl)-6-(2-propan-2-ylimidazol-1-yl)pyridine
CID 110268048
1-[3-(6-imidazol-1-yl-2-pyridinyl)piperidin-1-yl]-2-phenylethanone
CID 110267731
[(3S)-3-(6-imidazol-1-yl-2-pyridinyl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 95838490
2-[2-(6-imidazol-1-yl-2-pyridinyl)pyrrolidin-1-yl]pyrimidine
CID 110267895
2-imidazol-1-yl-6-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]pyrazine
CID 95815844
2-imidazol-1-yl-6-[(2S)-pyrrolidin-2-yl]pyridine
CID 95816194
2-imidazol-1-yl-6-[(2S)-1-methylsulfonylpyrrolidin-2-yl]pyridine
CID 95838660
2-[(2R)-2-(6-imidazol-1-yl-2-pyridinyl)pyrrolidin-1-yl]-4,6-dimethylpyrimidine
CID 124998210

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-1-cyclohexylpiperidin-3-yl]-6-imidazol-1-ylpyridine?
The IUPAC name of 2-[(3S)-1-cyclohexylpiperidin-3-yl]-6-imidazol-1-ylpyridine (CID 95838629) is 2-[(3S)-1-cyclohexylpiperidin-3-yl]-6-imidazol-1-ylpyridine.
What is the SMILES notation for 2-[(3S)-1-cyclohexylpiperidin-3-yl]-6-imidazol-1-ylpyridine?
The canonical SMILES for 2-[(3S)-1-cyclohexylpiperidin-3-yl]-6-imidazol-1-ylpyridine is c1cc([C@H]2CCCN(C3CCCCC3)C2)nc(-n2ccnc2)c1.
What is the InChIKey of 2-[(3S)-1-cyclohexylpiperidin-3-yl]-6-imidazol-1-ylpyridine?
The InChIKey is QLLSBISZAZPDDY-INIZCTEOSA-N. The full InChI is InChI=1S/C19H26N4/c1-2-7-17(8-3-1)22-12-5-6-16(14-22)18-9-4-10-19(21-18)23-13-11-20-15-23/h4,9-11,13,15-17H,1-3,5-8,12,14H2/t16-/m0/s1.
What are the key properties of 2-[(3S)-1-cyclohexylpiperidin-3-yl]-6-imidazol-1-ylpyridine?
2-[(3S)-1-cyclohexylpiperidin-3-yl]-6-imidazol-1-ylpyridine has a molecular weight of 310.44 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-1-cyclohexylpiperidin-3-yl]-6-imidazol-1-ylpyridine is sourced from PubChem (CID 95838629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).